SCHEMBL2904075

SCHEMBL2904075

CC(C)(CI)CN1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
PSMB1 P20618 1/20 0.30
PSMB5 P28074 1/20 0.30
PSMB2 P49721 1/20 0.30
CARM1 Q86X55 1/20 0.30
PRMT6 Q96LA8 1/20 0.30
PRMT8 Q9NR22 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11501574 0.82 LMNA (0.36) HRH3TSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL3983973 0.81 CYP2D6 (0.41) HRH3TSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL5857647 0.81 TSHR (0.36) HRH3TSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL11972631 0.81 CYP2D6 (0.41) HRH3TSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL12718302 0.78 ALDH1A1 (0.37) HRH3TSHRALDH1A1MEN1KMT2A
SCHEMBL2783147 0.78 CYP2D6 (0.43) TSHRTDP1KDM4EATMCARM1
SCHEMBL24926235 0.76 HRH3 (0.33) HRH3TSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL7049644 0.76 LMNA (0.35) HRH3TSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL6443996 0.76 TSHR (0.36) HRH3TSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL6445428 0.76 TSHR (0.36) HRH3TSHRALDH1A1TDP1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010506-B1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS HOFFMANN LA ROCHE (CH) 2010-08-04 EP disclosed
US-7632829-B2 Diazepan derivatives HOFFMANN-LA ROCHE INC. (US) 2009-12-15 US disclosed
EP-2010506-A1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. Hoffmann-Roche AG (CH) 2009-01-07 EP disclosed
WO-2007122103-A1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-01 WO disclosed
US-20070249589-A1 Novel diazepan derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-10-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070249589-A1 Novel diazepan derivatives CCR3, CCR1, CCR10 HRH3 23/4885TSHR 571/4885ALDH1A1 2871/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.